Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

You can now print GFN-FF topology lists #545

Merged
merged 8 commits into from
Jan 19, 2022
Merged

Conversation

Thomas3R
Copy link
Contributor

@Thomas3R Thomas3R commented Dec 9, 2021

Signed-off-by: Thomas Rose [email protected]

@awvwgk awvwgk self-requested a review December 9, 2021 16:46
@awvwgk awvwgk added the method: GFN-FF Related to the GFN-FF method label Dec 9, 2021
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
src/gfnff/topology.f90 Outdated Show resolved Hide resolved
src/gfnff/topology.f90 Outdated Show resolved Hide resolved
Co-authored-by: Sebastian Ehlert <[email protected]>
@codecov
Copy link

codecov bot commented Dec 10, 2021

Codecov Report

Merging #545 (7dbb42e) into main (546be4a) will not change coverage.
The diff coverage is n/a.

❗ Current head 7dbb42e differs from pull request most recent head 043967e. Consider uploading reports for the commit 043967e to get more accurate results
Impacted file tree graph

@@     Coverage Diff     @@
##   main   #545   +/-   ##
===========================
===========================

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 546be4a...043967e. Read the comment docs.

Thomas3R and others added 4 commits December 10, 2021 14:17
Co-authored-by: Sebastian Ehlert <[email protected]>
Co-authored-by: Sebastian Ehlert <[email protected]>
Co-authored-by: Sebastian Ehlert <[email protected]>
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
src/prog/main.F90 Outdated Show resolved Hide resolved
@awvwgk awvwgk merged commit 92252bb into grimme-lab:main Jan 19, 2022
@awvwgk awvwgk added this to the v6.5.0 milestone Apr 13, 2022
@Thomas3R Thomas3R deleted the FFprintout branch July 2, 2024 20:15
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
method: GFN-FF Related to the GFN-FF method
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants